5-acetyl-N-[(2-ethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-[(2-ethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-[(2-ethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0297 |
| Compound Name: | 5-acetyl-N-[(2-ethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 420.55 |
| Molecular Formula: | C20 H24 N2 O4 S2 |
| Smiles: | CCOc1ccccc1CNS(c1ccc2c(c1)N(CCCS2)C(C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7061 |
| logD: | 3.7057 |
| logSw: | -3.8426 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.59 |
| InChI Key: | YICAKBTWPXYCNG-UHFFFAOYSA-N |